A chemistry question - Computers, Math, Science, and Technology

Is it possible to compute a substance's boiling point and melting point by simply knowing the molecular structure of that substance?

For example, let's say I "invent" a substance. Say: 3,4-dichlorophenyl calcium 3-fluoroglutarate. Could I then, using some equation, derive its boiling point, melting point, and then maybe some other characteristics?

Source: http://www.wrongplanet.net/postt232793.html

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